⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL626669 | 0.80 | — | — | |
| SCHEMBL3420913 | 0.79 | MAPT (0.32) | — | |
| SCHEMBL28241666 | 0.79 | MAPT (0.32) | — | |
| SCHEMBL4077931 | 0.73 | MAPT (0.35) | — | |
| SCHEMBL10363699 | 0.70 | FPR2 (0.36) | — | |
| SCHEMBL3025455 | 0.70 | TLR8 (0.34) | — | |
| SCHEMBL19486318 | 0.70 | MAPT (0.33) | — | |
| SCHEMBL14271655 | 0.70 | ADORA2A (0.37) | — | |
| SCHEMBL28862101 | 0.70 | TLR8 (0.34) | — | |
| SCHEMBL11876902 | 0.68 | TLR7 (0.38) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-63051373-A | — | — | None | — | — | JP | disclosed |
| JP-S6351373-A | NOVEL 1-CYANOETHYLAMINOETHYL-2-SUBSTITUTED IMIDAZOLE COMPOUND, SYNTHESIS OF SAID COMPOUND AND CURING OF POLYEPOXY RESIN USING SAID COMPOUND | SHIKOKU CHEM CORP | 1988-03-04 | — | — | JP | disclosed |